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Compound Detail

CHEMBL2032385

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COc1ncc(-c2ccc(/C=C/C(=O)NO)c(Cl)c2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2032385
Phase Preclinical
Structure Type MOL
InChI Key GIDDCXXYFMKRQG-SNAWJCMRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

339.2
MW (Da)
3.58
ALogP
4
HBA
2
HBD
71.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12Cl2N2O3
MW 339.18
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
22542019 10.1016/j.bmcl.2012.04.019 Botulinum neurotoxin type A 1

Data from ChEMBL 36 via Core Engine